![N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea structure](/static/products/3352/335213-96-2.webp)
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea
TL;DR: N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea (CAS 335213-96-2) is a chemical compound with molecular formula C23H19N3O4S and molecular weight 433.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide
Also Known As: BAS 02818737, N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea, N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide, N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3,4-dimethoxybenzamide, 1-(4-Benzooxazol-2-yl-phenyl)-3-(3,4-dimethoxy-benzoyl)-thiourea
| Molecular Formula | C23H19N3O4S |
|---|---|
| Molecular Weight | 433.11 g/mol |
| LogP | 4.6388 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.10962 |
| Heavy Atoms | 31 |
| Complexity | 1218.414 |
Chemical Identifiers
| CAS Number | 335213-96-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)OC |
Product Overview
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea (CAS 335213-96-2), with molecular formula C23H19N3O4S and molecular weight 433.11 g/mol. IUPAC: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide.
Chemical Property Profile of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea
Property Insights of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea
The XLogP value of 4.6388 indicates that N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea. Following Lipinski's Rule of Five, N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea?
The CAS number of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea is 335213-96-2.
What is the molecular formula of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea?
The molecular formula of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea is C23H19N3O4S.
What is the molecular weight of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea?
The molecular weight of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea is 433.11 g/mol.
Where can I buy N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea?
You can request a quote for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(3,4-dimethoxybenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.